2-cyclohexylcyclohexa-1,3-diene

C12H18 — CID 18461331

IUPAC2-cyclohexylcyclohexa-1,3-diene
SMILESC1=CC(C2CCCCC2)=CCC1
InChIInChI=1S/C12H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3,7-8,12H,1-2,4-6,9-10H2
InChIKeyAOGMJOLPYNITJO-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.84
Rot. Bonds1

About 2-cyclohexylcyclohexa-1,3-diene

2-cyclohexylcyclohexa-1,3-diene (PubChem CID 18461331) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2-cyclohexylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-cyclohexylcyclohexa-1,3-diene
PubChem CID18461331
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2-cyclohexylcyclohexa-1,3-diene
SMILESC1=CC(C2CCCCC2)=CCC1
InChIInChI=1S/C12H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3,7-8,12H,1-2,4-6,9-10H2
InChIKeyAOGMJOLPYNITJO-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylcyclohexa-1,3-diene?
The IUPAC name of 2-cyclohexylcyclohexa-1,3-diene (CID 18461331) is 2-cyclohexylcyclohexa-1,3-diene.
What is the SMILES notation for 2-cyclohexylcyclohexa-1,3-diene?
The canonical SMILES for 2-cyclohexylcyclohexa-1,3-diene is C1=CC(C2CCCCC2)=CCC1.
What is the InChIKey of 2-cyclohexylcyclohexa-1,3-diene?
The InChIKey is AOGMJOLPYNITJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h3,7-8,12H,1-2,4-6,9-10H2.
What are the key properties of 2-cyclohexylcyclohexa-1,3-diene?
2-cyclohexylcyclohexa-1,3-diene has a molecular weight of 162.28 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylcyclohexa-1,3-diene is sourced from PubChem (CID 18461331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).